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869472-72-0,MFCD07366395
Catalog No.:AA019OLI

869472-72-0 | 3-methyl-2-[3-sulfanyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-yl]butanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$133.00   $93.00
- +
100mg
95%
3 weeks  
$175.00   $123.00
- +
250mg
95%
3 weeks  
$222.00   $155.00
- +
500mg
95%
3 weeks  
$370.00   $259.00
- +
1g
95%
3 weeks  
$515.00   $360.00
- +
2.5g
95%
3 weeks  
$956.00   $669.00
- +
5g
95%
3 weeks  
$1,384.00   $969.00
- +
10g
95%
3 weeks  
$2,024.00   $1,417.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA019OLI
Chemical Name:
3-methyl-2-[3-sulfanyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-yl]butanoic acid
CAS Number:
869472-72-0
Molecular Formula:
C11H13N3O2S2
Molecular Weight:
283.3698
MDL Number:
MFCD07366395
SMILES:
CC(C(n1c(S)nnc1c1cccs1)C(=O)O)C
Properties
Computed Properties
 
Complexity:
398  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.6  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:869472-72-0 Molecular Formula|869472-72-0 MDL|869472-72-0 SMILES|869472-72-0 3-methyl-2-[3-sulfanyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-yl]butanoic acid
Catalog No.: AA019OLI
869472-72-0,MFCD07366395
869472-72-0 | 3-methyl-2-[3-sulfanyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-yl]butanoic acid
Pack Size： 50mg
Purity： 95%
3 weeks
$133.00 $93.00
Pack Size： 100mg
Purity： 95%
3 weeks
$175.00 $123.00
Pack Size： 250mg
Purity： 95%
3 weeks
$222.00 $155.00
Pack Size： 500mg
Purity： 95%
3 weeks
$370.00 $259.00
Pack Size： 1g
Purity： 95%
3 weeks
$515.00 $360.00
Pack Size： 2.5g
Purity： 95%
3 weeks
$956.00 $669.00
Pack Size： 5g
Purity： 95%
3 weeks
$1,384.00 $969.00
Pack Size： 10g
Purity： 95%
3 weeks
$2,024.00 $1,417.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA019OLI
Chemical Name: 3-methyl-2-[3-sulfanyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-yl]butanoic acid
CAS Number: 869472-72-0
Molecular Formula: C11H13N3O2S2
Molecular Weight: 283.3698
MDL Number: MFCD07366395
SMILES: CC(C(n1c(S)nnc1c1cccs1)C(=O)O)C
Properties
Complexity: 398  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.6  
Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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